![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JLYL9
Calculation Name: 1VRD-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VRD
Chain ID: A
UniProt ID: Q9X168
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 321 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4562476.946712 |
---|---|
FMO2-HF: Nuclear repulsion | 4442427.654748 |
FMO2-HF: Total energy | -120049.291963 |
FMO2-MP2: Total energy | -120397.987258 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026864/ligand_interaction/ligand_F026864.png)
Ligand Interaction
![ligand interaction](./Kdata/F026864/ligand_interaction/ligand_interaction_F026864.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-3.57 | -0.813 | 0.241 | -1.334 | -1.665 | -0.007 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | GLU | -1 | -0.895 | -0.946 | 2.861 | -4.692 | -1.977 | 0.242 | -1.330 | -1.628 | -0.007 |
4 | A | 4 | ALA | 0 | -0.044 | -0.031 | 5.300 | 0.429 | 0.471 | -0.001 | -0.004 | -0.037 | 0.000 |
5 | A | 5 | LEU | 0 | 0.020 | 0.009 | 7.794 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | -0.037 | -0.043 | 11.273 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | PHE | 0 | 0.040 | -0.005 | 14.123 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ASP | -1 | -0.889 | -0.956 | 17.329 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.818 | -0.879 | 12.719 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | -0.046 | -0.010 | 15.596 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | -0.042 | -0.033 | 18.135 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LEU | 0 | -0.012 | -0.001 | 21.621 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | VAL | 0 | -0.025 | -0.004 | 23.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | PRO | 0 | -0.029 | -0.008 | 26.177 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLN | 0 | 0.005 | -0.001 | 28.258 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | TYR | 0 | -0.065 | -0.035 | 31.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | 0.024 | -0.004 | 35.167 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.907 | -0.944 | 37.126 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | -0.052 | -0.021 | 37.032 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.041 | 0.019 | 38.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PRO | 0 | 0.066 | 0.024 | 37.052 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.878 | 0.929 | 38.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ASP | -1 | -0.877 | -0.940 | 40.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | VAL | 0 | -0.057 | 0.012 | 35.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.904 | 0.942 | 37.378 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | 0.006 | -0.012 | 34.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.864 | -0.923 | 34.572 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | THR | 0 | -0.086 | -0.085 | 30.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ARG | 1 | 0.777 | 0.881 | 29.318 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.038 | -0.008 | 30.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | 0.001 | -0.029 | 30.356 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.920 | 0.929 | 31.320 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLN | 0 | -0.012 | 0.002 | 33.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ILE | 0 | -0.016 | 0.021 | 35.526 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.913 | 0.961 | 35.219 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ILE | 0 | -0.048 | -0.016 | 32.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | -0.050 | -0.063 | 36.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ILE | 0 | -0.008 | 0.003 | 34.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PRO | 0 | 0.015 | -0.001 | 29.850 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | -0.046 | -0.018 | 29.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.035 | 0.017 | 29.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | SER | 0 | -0.001 | -0.013 | 30.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ALA | 0 | 0.016 | -0.007 | 28.439 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ALA | 0 | 0.069 | 0.054 | 29.718 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | MET | 0 | -0.053 | -0.036 | 28.450 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASP | -1 | -0.771 | -0.898 | 31.661 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | -0.012 | -0.004 | 31.780 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.072 | -0.039 | 30.975 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | THR | 0 | 0.038 | 0.004 | 33.469 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | GLU | -1 | -0.817 | -0.893 | 36.146 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.013 | -0.002 | 39.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | -0.036 | -0.013 | 42.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | LEU | 0 | 0.049 | 0.026 | 35.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ALA | 0 | 0.010 | -0.003 | 38.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LYS | 1 | 0.923 | 0.954 | 39.358 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | -0.015 | 0.000 | 41.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | 0.039 | 0.020 | 34.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.033 | 0.030 | 38.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ARG | 1 | 0.862 | 0.937 | 40.417 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | GLU | -1 | -0.887 | -0.953 | 39.283 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLY | 0 | 0.012 | 0.014 | 39.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | -0.010 | -0.001 | 35.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.011 | -0.001 | 33.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLY | 0 | 0.044 | 0.022 | 34.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | -0.034 | -0.009 | 31.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ILE | 0 | -0.015 | -0.016 | 34.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | HIS | 0 | -0.005 | -0.004 | 33.783 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.942 | 0.960 | 29.777 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASN | 0 | -0.085 | -0.018 | 32.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LEU | 0 | 0.003 | -0.005 | 36.366 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | THR | 0 | 0.071 | 0.047 | 39.554 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | PRO | 0 | 0.048 | 0.010 | 40.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.853 | -0.920 | 42.241 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLU | -1 | -0.805 | -0.883 | 43.474 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLN | 0 | -0.001 | -0.018 | 36.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ALA | 0 | 0.036 | 0.028 | 41.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ARG | 1 | 0.879 | 0.926 | 44.025 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.026 | -0.038 | 41.760 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.075 | 0.033 | 40.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | SER | 0 | -0.010 | -0.003 | 43.139 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.081 | -0.041 | 46.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | VAL | 0 | -0.059 | -0.019 | 41.795 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.747 | 0.875 | 43.337 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LYS | 1 | 0.896 | 0.947 | 46.730 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | THR | 0 | -0.036 | 0.000 | 47.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 197 | ILE | 0 | 0.037 | 0.004 | 55.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 198 | MET | 0 | 0.071 | 0.030 | 55.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 199 | SER | 0 | -0.005 | -0.001 | 51.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 200 | VAL | 0 | -0.044 | -0.003 | 50.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 201 | ILE | 0 | 0.012 | 0.002 | 50.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 202 | GLU | -1 | -0.898 | -0.956 | 50.843 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 203 | HIS | 0 | -0.135 | -0.076 | 46.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 204 | PRO | 0 | 0.026 | 0.013 | 46.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 205 | ASN | 0 | 0.001 | -0.005 | 41.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 206 | ALA | 0 | 0.007 | 0.033 | 41.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 207 | ALA | 0 | -0.028 | -0.006 | 39.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 208 | ARG | 1 | 0.826 | 0.876 | 41.500 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 209 | ASP | -1 | -0.663 | -0.834 | 43.148 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 210 | GLU | -1 | -0.832 | -0.923 | 44.275 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 211 | LYS | 1 | 0.814 | 0.908 | 46.763 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 212 | GLY | 0 | 0.022 | 0.026 | 47.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 213 | ARG | 1 | 0.817 | 0.919 | 46.510 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 214 | LEU | 0 | -0.035 | 0.000 | 43.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 215 | LEU | 0 | 0.020 | 0.028 | 38.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 216 | VAL | 0 | -0.076 | -0.052 | 38.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 217 | GLY | 0 | 0.065 | 0.026 | 35.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 218 | ALA | 0 | -0.038 | -0.011 | 35.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 219 | ALA | 0 | -0.007 | 0.006 | 31.742 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 220 | VAL | 0 | 0.036 | 0.024 | 32.370 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 221 | GLY | 0 | -0.003 | -0.007 | 30.235 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 222 | THR | 0 | 0.039 | 0.006 | 28.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 223 | SER | 0 | -0.094 | -0.059 | 31.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 224 | PRO | 0 | 0.057 | 0.011 | 33.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 225 | GLU | -1 | -0.779 | -0.836 | 36.614 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 226 | THR | 0 | -0.039 | -0.024 | 33.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 227 | MET | 0 | 0.065 | 0.011 | 35.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 228 | GLU | -1 | -0.811 | -0.889 | 39.429 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 229 | ARG | 1 | 0.751 | 0.840 | 36.794 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 230 | VAL | 0 | 0.029 | 0.014 | 36.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 231 | GLU | -1 | -0.868 | -0.917 | 39.596 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 232 | LYS | 1 | 0.803 | 0.873 | 43.320 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 233 | LEU | 0 | -0.047 | -0.019 | 38.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 234 | VAL | 0 | 0.029 | 0.012 | 41.085 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 235 | LYS | 1 | 0.851 | 0.931 | 43.344 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 236 | ALA | 0 | -0.063 | -0.016 | 44.450 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 237 | GLY | 0 | -0.056 | -0.031 | 45.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 238 | VAL | 0 | -0.048 | -0.023 | 38.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 239 | ASP | -1 | -0.751 | -0.863 | 39.087 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 240 | VAL | 0 | -0.012 | -0.010 | 33.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 241 | ILE | 0 | 0.036 | 0.021 | 33.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 242 | VAL | 0 | -0.016 | -0.020 | 28.739 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 243 | ILE | 0 | 0.006 | 0.002 | 27.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 244 | ASP | -1 | -0.901 | -0.950 | 27.268 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 245 | THR | 0 | -0.040 | -0.030 | 24.212 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 246 | ALA | 0 | 0.000 | -0.003 | 20.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 247 | HIS | 0 | -0.028 | -0.024 | 16.891 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 248 | GLY | 0 | 0.067 | 0.029 | 20.463 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 249 | HIS | 0 | 0.011 | 0.018 | 16.345 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 250 | SER | 0 | -0.046 | -0.032 | 19.637 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 251 | ARG | 1 | 0.972 | 0.986 | 22.309 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 252 | ARG | 1 | 1.002 | 1.003 | 22.168 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 253 | VAL | 0 | -0.017 | 0.022 | 24.678 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 254 | ILE | 0 | 0.037 | 0.013 | 23.119 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 255 | GLU | -1 | -0.829 | -0.926 | 27.205 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 256 | THR | 0 | -0.044 | -0.029 | 30.065 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 257 | LEU | 0 | -0.058 | -0.030 | 27.810 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 258 | GLU | -1 | -0.898 | -0.959 | 30.366 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 259 | MET | 0 | -0.030 | 0.001 | 32.990 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 260 | ILE | 0 | -0.004 | -0.013 | 33.184 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 261 | LYS | 1 | 0.846 | 0.930 | 33.793 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 262 | ALA | 0 | -0.032 | -0.008 | 36.202 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 263 | ASP | -1 | -0.918 | -0.949 | 38.681 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 264 | TYR | 0 | -0.071 | -0.059 | 39.215 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 265 | PRO | 0 | 0.029 | 0.020 | 38.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 266 | ASP | -1 | -0.933 | -0.971 | 38.774 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 267 | LEU | 0 | -0.078 | -0.034 | 37.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 268 | PRO | 0 | -0.037 | -0.017 | 35.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 269 | VAL | 0 | 0.012 | 0.000 | 30.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 270 | VAL | 0 | -0.016 | -0.003 | 27.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 271 | ALA | 0 | 0.023 | 0.023 | 26.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 272 | GLY | 0 | 0.016 | 0.023 | 22.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 273 | ASN | 0 | -0.050 | -0.011 | 20.064 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 274 | VAL | 0 | 0.011 | -0.009 | 17.940 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 275 | ALA | 0 | -0.004 | -0.015 | 13.665 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 276 | THR | 0 | 0.058 | 0.034 | 11.948 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 277 | PRO | 0 | 0.115 | 0.044 | 13.073 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 278 | GLU | -1 | -0.863 | -0.941 | 13.453 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 279 | GLY | 0 | -0.014 | -0.004 | 16.741 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 280 | THR | 0 | -0.025 | -0.025 | 18.419 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 281 | GLU | -1 | -0.856 | -0.936 | 20.009 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 282 | ALA | 0 | -0.037 | -0.020 | 21.180 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 283 | LEU | 0 | 0.006 | -0.002 | 22.574 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 284 | ILE | 0 | -0.009 | 0.001 | 23.888 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 285 | LYS | 1 | 0.832 | 0.911 | 23.502 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 286 | ALA | 0 | 0.010 | 0.026 | 27.383 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 287 | GLY | 0 | 0.012 | 0.006 | 29.158 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 288 | ALA | 0 | -0.041 | -0.007 | 27.321 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 289 | ASP | -1 | -0.789 | -0.883 | 29.331 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 290 | ALA | 0 | 0.044 | 0.001 | 27.947 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 291 | VAL | 0 | -0.017 | 0.002 | 21.838 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 292 | LYS | 1 | 0.805 | 0.885 | 23.536 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 293 | VAL | 0 | 0.034 | -0.004 | 17.296 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 294 | GLY | 0 | 0.033 | 0.025 | 17.535 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 295 | VAL | 0 | 0.004 | 0.011 | 15.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 296 | GLY | 0 | 0.042 | 0.019 | 14.499 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 297 | PRO | 0 | -0.009 | 0.045 | 14.631 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 298 | GLY | 0 | 0.046 | 0.004 | 16.462 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 299 | SER | 0 | -0.023 | -0.024 | 15.000 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 300 | ILE | 0 | 0.052 | 0.013 | 15.610 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 301 | CYS | 0 | -0.073 | -0.001 | 16.820 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 302 | THR | 0 | 0.082 | 0.016 | 18.030 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 303 | THR | 0 | 0.009 | 0.003 | 15.490 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 304 | ARG | 1 | 0.900 | 0.934 | 12.358 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 305 | VAL | 0 | -0.020 | 0.002 | 13.885 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 306 | VAL | 0 | -0.034 | -0.010 | 16.135 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 307 | ALA | 0 | -0.022 | -0.014 | 15.767 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 308 | GLY | 0 | 0.024 | 0.027 | 11.759 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 309 | VAL | 0 | -0.032 | -0.012 | 10.452 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 310 | GLY | 0 | -0.012 | -0.040 | 11.036 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 311 | VAL | 0 | -0.031 | 0.001 | 9.325 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 312 | PRO | 0 | -0.081 | -0.025 | 8.843 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 313 | GLN | 0 | 0.093 | 0.005 | 11.803 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 314 | LEU | 0 | -0.011 | 0.019 | 14.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 315 | THR | 0 | 0.040 | 0.017 | 9.279 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 316 | ALA | 0 | 0.029 | 0.028 | 12.587 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 317 | VAL | 0 | -0.023 | -0.021 | 13.958 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 318 | MET | 0 | -0.013 | 0.013 | 14.014 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 319 | GLU | -1 | -0.812 | -0.883 | 10.841 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 320 | CYS | 0 | -0.051 | -0.009 | 15.471 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 321 | SER | 0 | -0.004 | -0.015 | 17.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 322 | GLU | -1 | -0.975 | -0.980 | 16.863 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 323 | VAL | 0 | 0.009 | 0.012 | 17.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 324 | ALA | 0 | 0.052 | 0.008 | 20.702 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 325 | ARG | 1 | 0.957 | 0.983 | 20.885 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 326 | LYS | 1 | 0.803 | 0.917 | 21.620 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 327 | TYR | 0 | -0.028 | -0.018 | 23.592 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 328 | ASP | -1 | -0.897 | -0.942 | 28.025 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 329 | VAL | 0 | -0.050 | -0.013 | 26.769 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 330 | PRO | 0 | -0.008 | 0.021 | 26.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 331 | ILE | 0 | 0.034 | 0.023 | 21.019 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 332 | ILE | 0 | -0.013 | -0.008 | 24.294 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 333 | ALA | 0 | 0.010 | 0.002 | 21.197 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 334 | ASP | -1 | -0.800 | -0.897 | 21.347 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 335 | GLY | 0 | 0.039 | 0.012 | 20.698 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 336 | GLY | 0 | -0.038 | -0.035 | 19.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 337 | ILE | 0 | -0.008 | 0.004 | 20.642 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 338 | ARG | 1 | 0.820 | 0.901 | 21.445 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 339 | TYR | 0 | 0.000 | -0.009 | 24.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 340 | SER | 0 | 0.077 | 0.046 | 26.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 341 | GLY | 0 | -0.018 | -0.010 | 26.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 342 | ASP | -1 | -0.776 | -0.891 | 22.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 343 | ILE | 0 | 0.020 | 0.015 | 23.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 344 | VAL | 0 | 0.009 | 0.016 | 25.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 345 | LYS | 1 | 0.891 | 0.957 | 20.401 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 346 | ALA | 0 | 0.016 | 0.005 | 20.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 347 | LEU | 0 | -0.026 | -0.013 | 21.986 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 348 | ALA | 0 | 0.017 | 0.007 | 23.197 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 349 | ALA | 0 | -0.043 | -0.022 | 18.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 350 | GLY | 0 | 0.001 | -0.005 | 19.964 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 351 | ALA | 0 | -0.031 | -0.006 | 22.301 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 352 | GLU | -1 | -0.795 | -0.880 | 23.743 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 353 | SER | 0 | -0.008 | 0.013 | 26.498 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 354 | VAL | 0 | 0.014 | 0.009 | 24.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 355 | MET | 0 | -0.017 | 0.014 | 25.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 356 | VAL | 0 | -0.040 | -0.023 | 25.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 357 | GLY | 0 | 0.084 | 0.018 | 27.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 358 | SER | 0 | -0.002 | -0.010 | 26.524 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 359 | ILE | 0 | 0.027 | 0.008 | 27.867 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 360 | PHE | 0 | 0.044 | 0.009 | 30.711 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 361 | ALA | 0 | 0.030 | 0.028 | 32.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 362 | GLY | 0 | -0.029 | -0.030 | 33.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 363 | THR | 0 | -0.019 | -0.005 | 36.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 364 | GLU | -1 | -0.952 | -0.977 | 38.652 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 365 | GLU | -1 | -0.801 | -0.913 | 40.545 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 366 | ALA | 0 | -0.034 | 0.003 | 36.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 367 | PRO | 0 | -0.049 | -0.028 | 37.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 368 | GLY | 0 | -0.025 | 0.003 | 39.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 369 | GLU | -1 | -0.904 | -0.943 | 40.916 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 370 | THR | 0 | -0.086 | -0.050 | 42.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 371 | ILE | 0 | 0.037 | 0.031 | 41.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 372 | LEU | 0 | -0.029 | -0.033 | 44.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 373 | TYR | 0 | 0.026 | 0.006 | 41.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 374 | GLN | 0 | 0.006 | -0.003 | 44.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 375 | GLY | 0 | 0.012 | 0.007 | 45.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 376 | ARG | 1 | 0.951 | 0.985 | 40.457 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 377 | LYS | 1 | 0.984 | 0.997 | 43.256 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 378 | TYR | 0 | -0.023 | -0.014 | 37.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 379 | LYS | 1 | 0.885 | 0.955 | 37.743 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 380 | ALA | 0 | -0.003 | 0.001 | 37.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 381 | TYR | 0 | 0.000 | 0.000 | 31.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 382 | ARG | 1 | 0.970 | 0.960 | 36.864 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 383 | GLY | 0 | 0.014 | 0.031 | 33.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 384 | MET | 0 | -0.044 | -0.010 | 30.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 410 | GLY | 0 | 0.056 | 0.030 | 34.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 411 | ILE | 0 | -0.099 | -0.051 | 30.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 412 | GLU | -1 | -0.886 | -0.957 | 34.216 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 413 | GLY | 0 | -0.005 | -0.017 | 34.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 414 | MET | 0 | -0.020 | -0.007 | 35.054 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 415 | VAL | 0 | -0.045 | 0.007 | 32.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 416 | PRO | 0 | 0.004 | -0.011 | 34.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 417 | TYR | 0 | 0.006 | -0.001 | 36.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 418 | LYS | 1 | 0.817 | 0.928 | 32.517 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 419 | GLY | 0 | 0.044 | 0.033 | 38.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 420 | THR | 0 | -0.011 | 0.011 | 40.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 421 | VAL | 0 | 0.029 | -0.012 | 37.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 422 | LYS | 1 | 0.991 | 1.000 | 38.574 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 423 | ASP | -1 | -0.855 | -0.936 | 40.237 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 424 | VAL | 0 | -0.026 | -0.014 | 34.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 425 | VAL | 0 | 0.000 | -0.001 | 35.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 426 | HIS | 0 | 0.029 | 0.029 | 36.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 427 | GLN | 0 | 0.007 | 0.000 | 32.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 428 | LEU | 0 | -0.025 | -0.017 | 30.212 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 429 | VAL | 0 | -0.005 | -0.005 | 32.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 430 | GLY | 0 | 0.013 | 0.008 | 34.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 431 | GLY | 0 | -0.055 | -0.034 | 32.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 432 | LEU | 0 | 0.001 | -0.003 | 29.426 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 433 | ARG | 1 | 0.880 | 0.922 | 31.703 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 434 | SER | 0 | -0.012 | 0.000 | 33.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 435 | GLY | 0 | 0.025 | 0.009 | 29.963 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 436 | MET | 0 | -0.026 | -0.015 | 30.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 437 | GLY | 0 | 0.017 | 0.009 | 32.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 438 | TYR | 0 | -0.055 | -0.027 | 31.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 439 | ILE | 0 | 0.019 | 0.022 | 27.285 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 440 | GLY | 0 | 0.020 | 0.020 | 31.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 441 | ALA | 0 | -0.074 | -0.029 | 31.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 442 | ARG | 1 | 0.981 | 0.971 | 33.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 443 | THR | 0 | 0.018 | 0.022 | 34.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 444 | ILE | 0 | 0.082 | 0.025 | 28.844 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 445 | LYS | 1 | 0.955 | 0.990 | 29.393 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 446 | GLU | -1 | -0.822 | -0.926 | 29.828 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 447 | LEU | 0 | -0.052 | -0.024 | 26.987 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 448 | GLN | 0 | -0.062 | -0.039 | 25.268 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 449 | GLU | -1 | -0.944 | -0.970 | 25.446 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 450 | LYS | 1 | 0.838 | 0.924 | 27.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 451 | ALA | 0 | -0.019 | 0.009 | 23.291 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 452 | VAL | 0 | 0.045 | 0.036 | 22.976 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 453 | PHE | 0 | -0.021 | -0.021 | 18.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 454 | VAL | 0 | 0.001 | 0.002 | 19.210 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 455 | LYS | 1 | 0.947 | 0.977 | 11.445 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 456 | ILE | 0 | -0.024 | -0.011 | 16.877 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 457 | THR | 0 | -0.009 | -0.005 | 16.377 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |